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Information card for entry 4105578
Preview
Coordinates | 4105578.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H46 F6 O8 Pd2 S2 |
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Calculated formula | C40 H46 F6 O8 Pd2 S2 |
SMILES | [Pd]12(OS(=O)(C(F)(F)F)O[Pd]3([O]=C(C45CC6CC(C4)CC(C5)C6)c4c3cc(c(c4)C)C)OS(=O)(O2)C(F)(F)F)[O]=C(c2cc(c(cc12)C)C)C12CC3CC(C1)CC(C2)C3 |
Title of publication | Palladium-Catalyzed Intermolecular directed C-H Amidation of Aromatic Ketones |
Authors of publication | Bin Xiao; Tian-Jun Gong; Jun Xu; Zhao-Jing Liu; Lei Liu |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 1466 - 1474 |
a | 11.0057 ± 0.0002 Å |
b | 15.2127 ± 0.0003 Å |
c | 24.8627 ± 0.0003 Å |
α | 90° |
β | 98.133 ± 0.001° |
γ | 90° |
Cell volume | 4120.81 ± 0.12 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0553 |
Residual factor for significantly intense reflections | 0.0354 |
Weighted residual factors for significantly intense reflections | 0.0537 |
Weighted residual factors for all reflections included in the refinement | 0.0559 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4105578.html
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